2-(5-methoxypyrimidin-2-yl)propanoic acid

C8H10N2O3 — CID 84768663

IUPAC2-(5-methoxypyrimidin-2-yl)propanoic acid
SMILESCOc1cnc(C(C)C(=O)O)nc1
InChIInChI=1S/C8H10N2O3/c1-5(8(11)12)7-9-3-6(13-2)4-10-7/h3-5H,1-2H3,(H,11,12)
InChIKeyKNYFFCDYESSDTC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.67
Rot. Bonds3

About 2-(5-methoxypyrimidin-2-yl)propanoic acid

2-(5-methoxypyrimidin-2-yl)propanoic acid (PubChem CID 84768663) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(5-methoxypyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methoxypyrimidin-2-yl)propanoic acid
PubChem CID84768663
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(5-methoxypyrimidin-2-yl)propanoic acid
SMILESCOc1cnc(C(C)C(=O)O)nc1
InChIInChI=1S/C8H10N2O3/c1-5(8(11)12)7-9-3-6(13-2)4-10-7/h3-5H,1-2H3,(H,11,12)
InChIKeyKNYFFCDYESSDTC-UHFFFAOYSA-N
XLogP0.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxypyrimidine-2-carboxylic acid
CID 12626246
Methyl 5-hydroxypyrimidine-2-carboxylate
CID 53678611
5-Methoxy-2-pyrimidinemethanol
CID 84762600
Methyl 2-[(5-hydroxypyrimidin-2-yl)(methyl)amino]acetate
CID 135246898
5-Hydroxy-pyrimidine-2-carboxylic acid ethyl ester
CID 72206969
5-Pentyloxypyrimidine-2-carboxylic acid
CID 13660582
[2-(Trifluoromethyl)pyrimidin-5-yl] 3-methylbutanoate
CID 17769121
Methanol;(2-methylpyrimidin-5-yl) 2,2,2-trifluoroacetate
CID 69852427
5-(Difluoromethoxy)pyrimidine-2-carboxylic acid
CID 118435519
2-Propan-2-yl-5-(trifluoromethoxy)pyrimidine
CID 155116696
5-(Difluoromethoxy)-2-propan-2-ylpyrimidine
CID 155116700
Ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]-2-methylpropanoate
CID 176157218

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(5-methoxypyrimidin-2-yl)propanoic acid (CID 84768663) is 2-(5-methoxypyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-methoxypyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(5-methoxypyrimidin-2-yl)propanoic acid is COc1cnc(C(C)C(=O)O)nc1.
What is the InChIKey of 2-(5-methoxypyrimidin-2-yl)propanoic acid?
The InChIKey is KNYFFCDYESSDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(8(11)12)7-9-3-6(13-2)4-10-7/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-(5-methoxypyrimidin-2-yl)propanoic acid?
2-(5-methoxypyrimidin-2-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84768663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).